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Add and Remove some functions in klist.h etc #4257

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merged 30 commits into from
Jun 9, 2024

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Haerxile
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@Haerxile Haerxile commented May 28, 2024

It's part of the final class project.

What's changed?

  1. Remove func set_both_kvec_after_vc for it do the same as set_after_vc
  2. Remove two useless parameters in func set_after_vc
  3. Remove func K_Vectors::mpi_k_after_vc for it do the same as mpi_k
  4. Remove func set_kup_and_kdw_after_vc for it's useless now
  5. Add a function Linely_add_k_between to make the func read_kpoints more readable
  6. Add a func pool_collection_aux to deal with the repeat of pool_collection
  7. Move ibz2bz to private
  8. Add notes in doxygen and modify the code indentation format
  9. Fixed a missspelling of symm.equal(a.e32, b.e32) in auto matequal

Thanks to kirk0830's suggestions, more changes were made as follows:

  1. Rename some sick-named variables
  2. Add a param of ofstream& ofs to take place of GlobalV::ofs_running in func set
  3. Make some of the if-elses of nspin clearer
  4. Fixed a small misswriting of max_kpoints

@mohanchen
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nice job, I will discuss with you about the PR proposed by another group.

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@Haerxile Haerxile requested a review from kirk0830 June 8, 2024 08:05
@mohanchen mohanchen merged commit b629044 into deepmodeling:develop Jun 9, 2024
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3 participants